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X-Ray Diffraction Table |
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X-Ray Diffraction Table |
See Help on X-Ray Diffraction.
Powder X-ray Diffraction (XRD) is one of the primary techniques used by mineralogists and solid state chemists to examine the physico-chemical make-up of unknown materials. This data is represented in a collection of single-phase X-ray powder diffraction patterns for the three most intense D values in the form of tables of interplanar spacings (D), relative intensities (I/Io), mineral name and chemical formulae
The XRD technique takes a sample of the material and places a powdered sample in a holder, then the sample is illuminated with x-rays of a fixed wave-length and the intensity of the reflected radiation is recorded using a goniometer. This data is then analyzed for the reflection angle to calculate the inter-atomic spacing (D value in Angstrom units - 10-8 cm). The intensity(I) is measured to discriminate (using I ratios) the various D spacings and the results are compared to this table to identify possible matches. Note: 2 theta (Θ) angle calculated from the Bragg Equation, 2 Θ = 2(arcsin(n λ/(2d)) where n=1
For more information about this technique, see X-Ray Analysis of a Solid or take an internet course at Birkbeck College On-line Courses. Many thanks to Frederic Biret for these data.
| D1 Å (2θ) |
I1 %) |
D2 Å (2θ) |
I2 (%) |
D3 Å (2θ) |
I3 (%) |
Mineral | Formula |
| 6.156(14.38) | 200 | 5.976(14.81) | 150 | 5.920(14.95) | 80 | Tarapacaite | K2CrO4 |
| 6.156(14.38) | 200 | 24.600(3.59) | 70 | 12.316(7.17) | 50 | Delhayelite | (Na,K)10Ca5Al6Si32O80(Cl2,F2,SO4)3·18(H2O) |
| 6.160(14.37) | 200 | 3.774(23.55) | 140 | 3.224(27.65) | 100 | Ovamboite | Cu20(Fe,Cu,Zn)6W2Ge6S32 |
| 6.160(14.37) | 200 | 4.300(20.64) | 180 | 5.600(15.81) | 120 | Polkovicite | (Fe,Pb)3(Ge,Fe)1-xS4 |
| 6.160(14.37) | 200 | 5.876(15.07) | 140 | 5.280(16.78) | 120 | Megacyclite | Na8KSi9O18(OH)9·19(H2O) |
| 6.160(14.37) | 200 | 6.560(13.49) | 120 | 5.692(15.56) | 100 | Monazite-(Nd) | (Nd,Ce,La)(P,Si)O4 |
| 6.160(14.37) | 200 | 7.840(11.28) | 80 | 5.072(17.47) | 60 | Benstonite | (Ba,Sr)6(Ca,Mn)6Mg(CO3)13 |
| 6.160(14.37) | 200 | 5.640(15.70) | 180 | 4.020(22.09) | 120 | Tornebohmite-(Ce) | (Ce,La,Nd)2Al(SiO4)2(OH) |
| 6.160(14.37) | 200 | 6.220(14.23) | 120 | 4.584(19.35) | 100 | Jarosite | KFe+++3(SO4)2(OH)6 |
| 6.160(14.37) | 200 | 7.100(12.46) | 160 | 7.720(11.45) | 160 | Allochalcoselite | Cu+Cu++5PbO2(SeO3)2Cl5 |
| 6.160(14.37) | 200 | 6.520(13.57) | 200 | 4.966(17.85) | 160 | Blossite | Cu2V+++++2O7 |
| 6.160(14.37) | 200 | 5.580(15.87) | 180 | 6.880(12.86) | 160 | Kalborsite | K6Al4Si6BO20(OH)4Cl |
| 6.160(14.37) | 200 | 3.282(27.15) | 160 | 5.814(15.23) | 160 | Canasite | (Na,K)6Ca5Si12O30(OH,F)4 |
| 6.160(14.37) | 200 | 7.160(12.35) | 200 | 8.400(10.52) | 200 | Dalyite | K2ZrSi6O15 |
| 6.160(14.37) | 200 | 3.776(23.54) | 160 | 6.320(14.00) | 140 | Polhemusite | (Zn,Hg)S |
| 6.160(14.37) | 200 | 6.400(13.83) | 180 | 5.680(15.59) | 120 | Orickite | CuFeS2·(H2O) |
| 6.160(14.37) | 200 | 11.980(7.37) | 160 | 7.340(12.05) | 140 | Beudantite | PbFe+++3(AsO4)(SO4)(OH)6 |
| 6.160(14.37) | 200 | 4.220(21.03) | 100 | 4.480(19.80) | 100 | Joseite | Bi4(S,Te)3 |
| 6.160(14.37) | 200 | 4.300(20.64) | 180 | 5.600(15.81) | 120 | Morozeviczite | (Pb,Fe)3Ge1-xS4 |
| 6.160(14.37) | 200 | 7.340(12.05) | 160 | 8.060(10.97) | 120 | Douglasite | K2Fe++Cl4·2(H2O) |
| 6.160(14.37) | 200 | 5.160(17.17) | 180 | 5.780(15.32) | 120 | Stephanite | Ag5SbS4 |
| 6.160(14.37) | 200 | 5.560(15.93) | 180 | 18.400(4.80) | 180 | Hydroglauberite | Na4Ca(SO4)3·2(H2O) |
| 6.161(14.36) | 200 | 16.555(5.33) | 162 | 6.523(13.56) | 148 | Paulingite-Ca | (Ca,K,Na,Ba)5[Al10Si35O84]·34(H2O) |
| 6.161(14.36) | 200 | 16.555(5.33) | 162 | 6.523(13.56) | 148 | Paulingite-K | (K2,Ca,Na2,Ba)5Al10Si35O90·45(H2O) |
| 6.168(14.35) | 200 | 6.542(13.52) | 62 | 6.270(14.11) | 54 | Percleveite-(Ce) | (Ce,La,Nd)2Si2O7 |
| 6.170(14.34) | 200 | 5.656(15.65) | 100 | 5.394(16.42) | 80 | Xonotlite | Ca6Si6O17(OH)2 |
| 6.174(14.33) | 200 | 11.200(7.89) | 120 | 6.672(13.26) | 106 | Kostylevite | K2ZrSi3O9·(H2O) |
| 6.176(14.33) | 200 | 3.790(23.45) | 180 | 3.228(27.61) | 140 | Vinciennite | Cu10Fe4Sn(As,Sb)S16 |
| 6.176(14.33) | 200 | 6.800(13.01) | 140 | 3.982(22.31) | 80 | Wolsendorfite | (Pb,Ba,Ca)U2O7·2(H2O) |
| 6.178(14.32) | 200 | 3.982(22.31) | 140 | 5.412(16.37) | 140 | Sabatierite | Cu4TlSe3 |
| 6.178(14.32) | 200 | 8.720(10.14) | 128 | 6.258(14.14) | 120 | Palermoite | (Sr,Ca)(Li,Na)2Al4(PO4)4(OH)4 |
| 6.180(14.32) | 200 | 5.560(15.93) | 140 | 6.080(14.56) | 140 | Mendipite | Pb3Cl2O2 |
| 6.180(14.32) | 200 | 3.788(23.47) | 160 | 3.234(27.56) | 120 | Nekrasovite | Cu+26V2(Sn,As,Sb)6S32 |
| 6.180(14.32) | 200 | 4.240(20.93) | 120 | 4.500(19.71) | 80 | Aleksite | PbBi2Te2S2 (?) |
| 6.180(14.32) | 200 | 5.640(15.70) | 140 | 9.200(9.61) | 140 | Tornebohmite-(La) | (La,Ce)2Al(SiO4)2(OH) |
| 6.180(14.32) | 200 | 5.186(17.08) | 60 | 4.262(20.82) | 50 | Kaliophilite | KAlSiO4 |
| 6.180(14.32) | 200 | 9.000(9.82) | 92 | 4.510(19.67) | 76 | Baksanite | Bi6Te2S3 |
| 6.180(14.32) | 200 | 3.352(26.57) | 134 | 2.566(34.94) | 134 | Metacalciouranoite | (Ca,Na,Ba)U2O7·2(H2O) |
| 6.180(14.32) | 200 | 5.780(15.32) | 180 | 8.460(10.45) | 150 | Huttonite | ThSiO4 |
| 6.180(14.32) | 200 | 4.420(20.07) | 100 | 4.660(19.03) | 60 | Volynskite | AgBiTe2 |
| 6.180(14.32) | 200 | 5.362(16.52) | 140 | 17.620(5.01) | 140 | Bjarebyite | (Ba,Sr)(Mn++,Fe++,Mg)2Al2(PO4)3(OH)3 |
| 6.180(14.32) | 200 | 3.790(23.45) | 160 | 3.236(27.54) | 120 | Mawsonite | Cu+6Fe+++2Sn++++S8 |
| 6.180(14.32) | 200 | 6.320(14.00) | 200 | 11.400(7.75) | 120 | Ammonioborite | (NH4)2B10O16·5(H2O) |
| 6.180(14.32) | 200 | 3.246(27.45) | 46 | 4.156(21.36) | 40 | Grattarolaite | Fe+++3O3(PO4) |
| 6.180(14.32) | 200 | 5.224(16.96) | 140 | 2.480(36.19) | 120 | Megakalsilite | KAlSiO4 |
| 6.180(14.32) | 200 | 12.358(7.15) | 180 | 6.482(13.65) | 80 | Radovanite | Cu2Fe+++(AsO4)[As+++O2(OH)2]·H2O |
| 6.180(14.32) | 200 | 16.460(5.36) | 200 | 6.440(13.74) | 160 | Marthozite | Cu[(UO2)3(SeO3)2O2]·8(H2O) |
| 6.180(14.32) | 200 | 8.800(10.04) | 148 | 13.180(6.70) | 132 | Krausite | KFe+++(SO4)2·(H2O) |
| 6.180(14.32) | 200 | 6.820(12.97) | 140 | 3.960(22.43) | 120 | Bauranoite | BaU2O7·4-5(H2O) |
| 6.180(14.32) | 200 | 6.380(13.87) | 200 | 13.820(6.39) | 200 | Parakuzmenkoite-Fe | (K,Ba)2Fe(Ti,Nb)4(Si4O12)2(O,OH)4·7(H2O) |
| 6.180(14.32) | 200 | 8.640(10.23) | 200 | 5.420(16.34) | 180 | Pharmacolite | CaHAsO4·2(H2O) |
| 6.182(14.32) | 200 | 3.756(23.67) | 160 | 6.350(13.93) | 120 | Fettelite | [Ag6As2S7][Ag10HgAs2S8] |
| 6.184(14.31) | 200 | 11.932(7.40) | 100 | 7.356(12.02) | 80 | Segnitite | PbFe+++3H(AsO4)2(OH)6 |
| 6.184(14.31) | 200 | 6.608(13.39) | 186 | 13.620(6.48) | 134 | Coquandite | Sb6O8(SO4)·(H2O) |
| 6.186(14.31) | 200 | 6.334(13.97) | 200 | 3.318(26.85) | 140 | Howardevansite | NaCu++Fe+++2(VO4)3 |
| 6.186(14.31) | 200 | 6.174(14.33) | 138 | 6.360(13.91) | 110 | Uricite | C5H4N4O3 |
| 6.188(14.30) | 200 | 5.830(15.18) | 160 | 5.298(16.72) | 140 | Penikisite | BaMg2Al2(PO4)3(OH)3 |
| 6.190(14.30) | 200 | 6.164(14.36) | 190 | 6.240(14.18) | 60 | Clinobisvanite | BiVO4 |
| 6.192(14.29) | 200 | 6.328(13.98) | 100 | 7.910(11.18) | 100 | Georgiadesite | Pb4(AsO3)Cl4(OH) |
| 6.192(14.29) | 200 | 3.556(25.02) | 180 | 4.668(19.00) | 140 | Orebroite-III | Mn++6(Fe+++,Sb+++++)2Si2(O,OH)14 |
| 6.192(14.29) | 200 | 3.556(25.02) | 180 | 4.668(19.00) | 140 | Orebroite-VIII | Mn++3(Sb+++++,Fe+++)SiO4(O,OH)3 |
| 6.194(14.29) | 200 | 9.300(9.50) | 140 | 18.560(4.76) | 140 | Juabite | (Ca,Fe++)Cu10(Te++++O3)4(As+++++O4)4(OH)2·4(H2O) |
| 6.196(14.28) | 200 | 16.732(5.28) | 184 | 5.096(17.39) | 116 | Protomangano-ferro-anthophyllite | (Mn++,Fe++)2(Fe++,Mg)5(Si4O11)2(OH)2 |
| 6.196(14.28) | 200 | 6.864(12.89) | 100 | 5.540(15.98) | 30 | Coesite | SiO2 |
| 6.200(14.27) | 200 | 6.920(12.78) | 160 | 3.836(23.17) | 120 | Spriggite | Pb3[(UO2)6O8(OH)2](H2O)x; x ~ 3 |
| 6.200(14.27) | 200 | 6.056(14.61) | 180 | 3.520(25.28) | 120 | Changbaiite | PbNb2O6 |
| 6.200(14.27) | 200 | 3.840(23.14) | 160 | 3.780(23.52) | 140 | Barquillite | Cu2CdGeS4 |
| 6.200(14.27) | 200 | 3.784(23.49) | 180 | 3.228(27.61) | 140 | Stibiocolusite | Cu13V(Sb,As,Sn)3S16 |
| 6.200(14.27) | 200 | 16.444(5.37) | 122 | 5.482(16.15) | 106 | Ferri-clinoholmquistite | [ ]Li2Mg3(Fe3+)2(Si8O22)(OH)2 |
| 6.200(14.27) | 200 | 5.620(15.76) | 80 | 5.500(16.10) | 60 | Thalenite-(Y) | Y3Si3O10(OH) |
| 6.200(14.27) | 200 | 3.764(23.62) | 180 | 3.262(27.32) | 100 | Fergusonite-(Ce) | (Ce,La,Y)NbO4 |
| 6.200(14.27) | 200 | 9.520(9.28) | 110 | 6.144(14.40) | 60 | Scheelite | CaWO4 |
| 6.200(14.27) | 200 | 8.500(10.40) | 180 | 8.840(1-) | 160 | Sanderite | MgSO4·2(H2O) |
| 6.200(14.27) | 200 | 3.806(23.35) | 160 | 3.220(27.68) | 120 | Lautite | CuAsS |
| 6.200(14.27) | 200 | 10.200(8.66) | 120 | 3.980(22.32) | 80 | Ammoniojarosite | (NH4)Fe+++3(SO4)2(OH)6 |
| 6.200(14.27) | 200 | 5.420(16.34) | 160 | 6.800(13.01) | 140 | Eckermannite | NaNa2(Mg4Al)Si8O22(OH)2 |
| 6.200(14.27) | 200 | 3.858(23.03) | 60 | 9.520(9.28) | 50 | Powellite | CaMoO4 |
| 6.204(14.26) | 200 | 5.430(16.31) | 160 | 7.240(12.21) | 160 | Hodrushite | Cu8Bi12S22 |
| 6.208(14.26) | 200 | 3.794(23.43) | 140 | 3.656(24.33) | 100 | Wilhelmramsayite | Cu3FeS3·2(H2O) |
| 6.208(14.26) | 200 | 4.972(17.82) | 140 | 3.344(26.63) | 60 | Theoparacelsite | Cu3(OH)2(As2O7) |
| 6.208(14.26) | 200 | 13.200(6.69) | 172 | 6.576(13.45) | 150 | Hemimorphite | Zn4Si2O7(OH)2·(H2O) |
| 6.208(14.26) | 200 | 6.932(12.76) | 120 | 3.084(28.93) | 100 | Coronadite | Pb(Mn++++,Mn++)8O16 |
| 6.214(14.24) | 200 | 3.804(23.37) | 126 | 3.246(27.45) | 108 | IMA2009-032 | CaUO4 |
| 6.216(14.24) | 200 | 5.854(15.12) | 160 | 6.088(14.54) | 140 | Kulanite | Ba(Fe++,Mn,Mg)2Al2(PO4)3(OH)3 |
| 6.216(14.24) | 200 | 3.804(23.37) | 130 | 3.247(27.45) | 70 | Famatinite | Cu3SbS4 |
| 6.218(14.23) | 200 | 4.496(19.73) | 140 | 2.736(32.70) | 134 | Antimony | Sb |
| 6.220(14.23) | 200 | 3.838(23.16) | 100 | 3.716(23.93) | 60 | Hemusite | Cu6SnMoS8 |
| 6.220(14.23) | 200 | 3.812(23.32) | 140 | 3.242(27.49) | 40 | Stannoidite | Cu8Fe3Sn2S12 |
| 6.220(14.23) | 200 | 6.100(14.51) | 100 | 6.500(13.61) | 100 | Walpurgite | Bi4(UO2)(AsO4)2O4·2(H2O) |
| 6.220(14.23) | 200 | 6.260(14.14) | 200 | 5.860(15.11) | 90 | Thortveitite | (Sc,Y)2Si2O7 |
| 6.220(14.23) | 200 | 4.472(19.84) | 120 | 5.700(15.53) | 120 | Bakerite | Ca4B4(BO4)(SiO4)3(OH)3·(H2O) |
| 6.220(14.23) | 200 | 31.120(2.84) | 180 | 5.330(16.62) | 140 | Shkatulkalite | {(Na,Mn,Ca,[ ])4[Nb2(O,H2O)4Si4O14](OH,F)2}·2(H2O,[ ]) |
| 6.220(14.23) | 200 | 7.400(11.95) | 180 | 5.200(17.04) | 140 | Burckhardtite | Pb2(Fe+++,Mn+++)Te++++(AlSi3O10)O2(OH)2·(H2O) |
| 6.220(14.23) | 200 | 12.120(7.29) | 180 | 3.686(24.12) | 160 | Arsenobismite | Bi2(AsO4)(OH)3 |
| 6.220(14.23) | 200 | 4.560(19.45) | 120 | 4.260(20.83) | 100 | Ingodite | Bi(S,Te) |
| 6.220(14.23) | 200 | 4.800(18.47) | 120 | 3.240(27.51) | 100 | Argutite | GeO2 |
| 6.220(14.23) | 200 | 9.980(8.85) | 200 | 11.700(7.55) | 120 | Parabutlerite | Fe+++(SO4)(OH)·2(H2O) |
| 6.224(14.22) | 200 | 5.964(14.84) | 80 | 4.254(20.86) | 40 | IMA2009-001 | Ba5(Ca,REE,Y)22(Ti,Nb)18(SiO4)4[(PO4),(SiO4)]4(BO3)9O22[(OH),F]43(H2O)1.5 |
| 6.224(14.22) | 200 | 11.894(7.43) | 174 | 7.332(12.06) | 68 | Dorallcharite | (Tl,K)Fe+++3(SO4)2(OH)6 |
| 6.226(14.21) | 200 | 7.024(12.59) | 180 | 14.020(6.30) | 160 | Sayrite | Pb2(UO2)5O6(OH)2·4(H2O) |